4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine

C12H13F3N4O — CID 102720025

IUPAC4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine
SMILESCc1nn(C)c(C)c1Oc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H13F3N4O/c1-6-11(7(2)19(3)18-6)20-10-5-8(12(13,14)15)4-9(16)17-10/h4-5H,1-3H3,(H2,16,17)
InChIKeyHZAMEFIMIOGBRQ-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.83
Rot. Bonds2

About 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine

4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine (PubChem CID 102720025) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine
PubChem CID102720025
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine
SMILESCc1nn(C)c(C)c1Oc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C12H13F3N4O/c1-6-11(7(2)19(3)18-6)20-10-5-8(12(13,14)15)4-9(16)17-10/h4-5H,1-3H3,(H2,16,17)
InChIKeyHZAMEFIMIOGBRQ-UHFFFAOYSA-N
XLogP2.83
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine (CID 102720025) is 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine is Cc1nn(C)c(C)c1Oc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine?
The InChIKey is HZAMEFIMIOGBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-6-11(7(2)19(3)18-6)20-10-5-8(12(13,14)15)4-9(16)17-10/h4-5H,1-3H3,(H2,16,17).
What are the key properties of 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine?
4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine has a molecular weight of 286.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridin-2-amine is sourced from PubChem (CID 102720025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).